6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid

C13H19N3O2 — CID 114132746

IUPAC6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ccc(C(=O)O)cn1)N(C)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)11-4-5-11)7-14-12-6-3-10(8-15-12)13(17)18/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyNKVWTSOPFLXVIG-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.67
Rot. Bonds6

About 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid

6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid (PubChem CID 114132746) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
PubChem CID114132746
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
SMILESCC(CNc1ccc(C(=O)O)cn1)N(C)C1CC1
InChIInChI=1S/C13H19N3O2/c1-9(16(2)11-4-5-11)7-14-12-6-3-10(8-15-12)13(17)18/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,14,15)(H,17,18)
InChIKeyNKVWTSOPFLXVIG-UHFFFAOYSA-N
XLogP1.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Niflumic Acid
CID 4488
2-Aminonicotinic acid
CID 72930
Imazapyr-isopropylammonium
CID 62286
Metanixin
CID 10466908
Methyl 6-aminonicotinate
CID 737487
6-Aminonicotinic acid
CID 18496
Nixylic acid
CID 71827
2-(4-Chloro-phenylamino)-nicotinic acid
CID 1432578
6-(Dimethylamino)-3-pyridinecarboxylic acid
CID 99209
6-[(Propan-2-yl)amino]pyridine-3-carboxylic acid
CID 28400003
6-(Cyclopropylamino)pyridine-3-carboxylic acid
CID 28400038
Methyl 2-aminopyridine-3-carboxylate
CID 351633

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid (CID 114132746) is 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid is CC(CNc1ccc(C(=O)O)cn1)N(C)C1CC1.
What is the InChIKey of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
The InChIKey is NKVWTSOPFLXVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9(16(2)11-4-5-11)7-14-12-6-3-10(8-15-12)13(17)18/h3,6,8-9,11H,4-5,7H2,1-2H3,(H,14,15)(H,17,18).
What are the key properties of 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid?
6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 114132746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).